N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide

C14H28N2O2 — CID 106349311

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(CCO)C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-11-5-8-16(9-6-11)13(18)15-12(7-10-17)14(2,3)4/h11-12,17H,5-10H2,1-4H3,(H,15,18)
InChIKeyZPJWVNYMAGUPAG-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.22
Rot. Bonds3

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide (PubChem CID 106349311) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide
PubChem CID106349311
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(CCO)C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-11-5-8-16(9-6-11)13(18)15-12(7-10-17)14(2,3)4/h11-12,17H,5-10H2,1-4H3,(H,15,18)
InChIKeyZPJWVNYMAGUPAG-UHFFFAOYSA-N
XLogP2.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydro-4-hydroxy-6-isopropyl-5,5-dimethyl-1H-pyrimidin-2-one
CID 85676
N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 56794735
3-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75506486
1-(1-Cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea
CID 91661371
N-(1-hydroxy-2,2,4-trimethylpent-3-yl)urea
CID 129797237
4-hydroxy-N-(1-methoxy-4-methylpentan-3-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75443058
4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75522549
4-hydroxy-N-[(3R)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334288
4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334289
4-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]piperidine-1-carboxamide
CID 97830985
4-(hydroxymethyl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]piperidine-1-carboxamide
CID 97830986
(3S)-3-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]piperidine-1-carboxamide
CID 97830994

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide (CID 106349311) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NC(CCO)C(C)(C)C)CC1.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide?
The InChIKey is ZPJWVNYMAGUPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11-5-8-16(9-6-11)13(18)15-12(7-10-17)14(2,3)4/h11-12,17H,5-10H2,1-4H3,(H,15,18).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 106349311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).